5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole

C8H11N3O — CID 56948415

IUPAC5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole
SMILES[2H]C1([2H])NC[C@@]2(c3nc(C)no3)C[C@@H]12
InChIInChI=1S/C8H11N3O/c1-5-10-7(12-11-5)8-2-6(8)3-9-4-8/h6,9H,2-4H2,1H3/t6-,8-/m0/s1/i3D2
InChIKeyFTFZIXZMGKRLHO-MHICNTELSA-N
MW167.21 g/mol
LogP0.24
Rot. Bonds1

About 5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole

5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 56948415) has the molecular formula C8H11N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID56948415
Molecular FormulaC8H11N3O
Molecular Weight167.21 g/mol
Exact Mass167.10
IUPAC Name5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole
SMILES[2H]C1([2H])NC[C@@]2(c3nc(C)no3)C[C@@H]12
InChIInChI=1S/C8H11N3O/c1-5-10-7(12-11-5)8-2-6(8)3-9-4-8/h6,9H,2-4H2,1H3/t6-,8-/m0/s1/i3D2
InChIKeyFTFZIXZMGKRLHO-MHICNTELSA-N
XLogP0.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole (CID 56948415) is 5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole is [2H]C1([2H])NC[C@@]2(c3nc(C)no3)C[C@@H]12.
What is the InChIKey of 5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is FTFZIXZMGKRLHO-MHICNTELSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-10-7(12-11-5)8-2-6(8)3-9-4-8/h6,9H,2-4H2,1H3/t6-,8-/m0/s1/i3D2.
What are the key properties of 5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole?
5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 167.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,5R)-4,4-dideuterio-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 56948415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).